Chemical ID: 4119726

CN1CC(CC1=O)C(=O)O
Chemical ID:
4119726
Name [?]:
1-methyl-5-oxo-pyrrolidine-3-carboxylic acid
SMILES [?]:
CN1CC(CC1=O)C(=O)O
InChi [?]:
InChI=1/C6H9NO3/c1-7-3-4(6(9)10)2-5(7)8/h4H,2-3H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,5,3,4,6,8,2,7,9,10/E:(9,10)/rA:10cCNCCCCOCOO/rB:s1;s2;s3;s4;s2s5;d6;s4;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H9NO3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:4.5366
Area:294.755
Solvation:-2.83228
Coulombic:-39.7913
Bond Count [?]
All:10
Single:8
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:143.141
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-1.12
LogP (Chemaxon):-0.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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